#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnl s SER 2 N 0.00 -0.94 0.23 0.41 1.04 -1.26 -5.14 113.70 108.03 1bnl s SER 2 Ca 0.00 1.18 0.05 0.00 0.48 0.00 0.00 55.95 57.66 1bnl s SER 2 Cb 0.00 2.03 -0.05 0.00 0.10 0.00 0.00 66.02 68.10 1bnl s SER 2 CO 0.00 -0.18 -0.06 -1.00 0.98 0.00 0.00 173.24 172.98 1bnl s HIS 3 N 2.74 1.66 0.16 5.02 4.02 -1.26 -5.15 115.29 122.48 1bnl s HIS 3 Ca -0.02 -0.77 0.04 0.00 1.02 0.00 0.00 55.06 55.33 1bnl s HIS 3 Cb -0.10 -0.91 -0.04 0.00 -1.02 0.00 0.00 32.58 30.51 1bnl s HIS 3 CO -0.18 0.14 0.21 1.03 1.02 0.00 0.00 174.74 176.96 1bnl s ARG 4 N -3.77 3.17 0.14 1.40 0.52 -1.26 -5.03 118.95 114.12 1bnl s ARG 4 Ca 0.26 -0.75 -0.18 0.00 -0.52 0.00 0.00 55.73 54.55 1bnl s ARG 4 Cb 0.04 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 1bnl s ARG 4 CO 0.08 0.50 1.80 -0.44 0.02 0.00 0.00 175.30 177.26 1bnl h ASP 5 N 2.22 0.35 -0.13 0.23 3.32 -2.02 -1.78 116.42 118.60 1bnl h ASP 5 Ca -0.48 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1bnl h ASP 5 Cb 1.20 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1bnl h ASP 5 CO 0.66 0.26 0.00 2.22 -1.72 0.00 0.00 179.24 180.65 1bnl n PHE 6 N -4.87 0.17 -3.26 4.55 -1.74 -1.26 -4.17 117.46 106.88 1bnl n PHE 6 Ca -0.01 -0.09 -0.27 0.00 -0.56 0.00 0.00 57.45 56.53 1bnl n PHE 6 Cb 0.03 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 40.96 1bnl n PHE 6 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 1bnl n GLN 7 N -0.12 2.62 -1.59 3.97 6.02 -0.67 -5.10 117.38 122.51 1bnl n GLN 7 Ca 0.08 -4.63 -0.34 0.00 -0.01 0.00 0.00 57.00 52.10 1bnl n GLN 7 Cb 0.14 -2.19 0.07 0.00 1.02 0.00 0.00 30.24 29.29 1bnl n GLN 7 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1bnl s PRO 8 N -2.72 2.43 -0.10 -1.09 0.04 -1.26 -4.33 135.00 127.97 1bnl s PRO 8 Ca 0.42 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 1bnl s PRO 8 Cb 0.19 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.93 1bnl s PRO 8 CO -0.06 -1.58 0.72 0.08 0.04 0.00 0.00 177.00 176.21 1bnl s VAL 9 N -2.12 0.00 -0.06 -0.36 1.01 -1.26 -4.29 120.40 113.32 1bnl s VAL 9 Ca 0.71 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1bnl s VAL 9 Cb -0.25 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1bnl s VAL 9 CO 0.43 0.00 -0.15 -0.76 0.00 0.00 0.00 175.10 174.62 1bnl s LEU 10 N -0.87 1.78 -0.12 3.92 1.43 -0.29 -4.51 118.68 120.02 1bnl s LEU 10 Ca -0.08 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1bnl s LEU 10 Cb -0.01 -0.94 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 1bnl s LEU 10 CO 0.07 0.08 0.23 -1.00 0.23 0.00 0.00 176.35 175.96 1bnl s HIS 11 N 0.45 3.55 -0.37 0.29 3.76 -1.25 -0.20 115.29 121.53 1bnl s HIS 11 Ca -0.12 0.60 -0.12 0.00 -0.15 0.00 0.00 55.06 55.26 1bnl s HIS 11 Cb -0.15 -2.15 0.01 0.00 1.11 0.00 0.00 32.58 31.41 1bnl s HIS 11 CO 0.04 0.51 0.22 -1.17 -0.85 0.00 0.00 174.74 173.49 1bnl s LEU 12 N -0.39 4.67 0.04 0.89 0.20 0.54 -2.66 118.68 121.98 1bnl s LEU 12 Ca 0.16 -0.81 0.07 0.00 0.69 0.00 0.00 54.13 54.24 1bnl s LEU 12 Cb -0.13 -2.07 -0.02 0.00 -0.43 0.00 0.00 46.19 43.54 1bnl s LEU 12 CO 0.05 -0.35 -0.20 -0.69 -0.29 0.00 0.00 176.35 174.87 1bnl s VAL 13 N 1.62 1.61 0.28 1.68 1.01 -0.18 -4.27 120.40 122.14 1bnl s VAL 13 Ca 0.04 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 1bnl s VAL 13 Cb -0.18 -1.40 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 1bnl s VAL 13 CO 0.08 0.21 0.60 0.00 0.00 0.00 0.00 175.10 175.99 1bnl s ALA 14 N -0.77 3.52 0.68 5.51 0.00 -0.74 0.34 121.76 130.30 1bnl s ALA 14 Ca 0.07 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.59 1bnl s ALA 14 Cb -0.09 -2.48 0.01 0.00 0.00 0.00 0.00 23.12 20.57 1bnl s ALA 14 CO 0.01 0.34 1.08 -0.51 0.00 0.00 0.00 175.76 176.69 1bnl s LEU 15 N -3.18 3.27 0.46 0.00 1.43 -0.56 -1.99 118.68 118.12 1bnl s LEU 15 Ca 0.48 1.85 0.31 0.00 -1.03 0.00 0.00 54.13 55.74 1bnl s LEU 15 Cb -0.11 -4.53 1.33 0.00 0.03 0.00 0.00 46.19 42.91 1bnl s LEU 15 CO 0.25 -1.61 1.92 0.78 0.23 0.00 0.00 176.35 177.92 1bnl h ASN 16 N -0.32 0.00 -4.88 2.29 2.35 -1.94 -3.44 115.58 109.63 1bnl h ASN 16 Ca -0.45 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.09 1bnl h ASN 16 Cb 1.23 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.41 1bnl h ASN 16 CO 0.54 0.00 -0.71 0.00 -1.65 0.00 0.00 177.43 175.62 1bnl s ALA 17 N -3.60 0.47 0.59 -0.83 0.00 -1.26 -5.03 121.76 112.10 1bnl s ALA 17 Ca 0.01 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 50.95 1bnl s ALA 17 Cb 0.09 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1bnl s ALA 17 CO 0.47 -0.14 1.14 -2.14 0.00 0.00 0.00 175.76 175.09 1bnl s PRO 18 N -2.18 3.08 0.03 0.00 0.02 -1.26 -4.74 135.00 129.96 1bnl s PRO 18 Ca -0.07 1.59 0.04 0.00 0.02 0.00 0.00 61.00 62.58 1bnl s PRO 18 Cb -0.05 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 1bnl s PRO 18 CO -0.02 -1.07 -0.11 -0.51 -0.33 0.00 0.00 177.00 174.96 1bnl s LEU 19 N -4.21 2.15 0.00 -5.54 1.43 0.53 -4.78 118.68 108.27 1bnl s LEU 19 Ca 0.72 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1bnl s LEU 19 Cb -0.24 -0.47 0.18 0.00 0.03 0.00 0.00 46.19 45.69 1bnl s LEU 19 CO 0.33 -0.00 1.15 -1.54 0.23 0.00 0.00 176.35 176.52 1bnl n SER 20 N 2.03 0.69 -0.04 2.29 3.41 -1.25 -1.52 113.62 119.23 1bnl n SER 20 Ca -0.18 -1.79 0.05 0.00 -0.26 0.00 0.00 58.87 56.70 1bnl n SER 20 Cb 0.55 -0.83 0.42 0.00 -0.26 0.00 0.00 64.21 64.10 1bnl n SER 20 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1bnl h GLY 21 N -1.17 0.64 -6.34 5.00 0.00 -1.46 -3.33 103.07 96.41 1bnl h GLY 21 Ca -0.38 -0.23 -0.67 0.00 0.00 0.00 0.00 47.33 46.06 1bnl h GLY 21 CO 0.32 0.21 2.59 0.61 0.00 0.00 0.00 176.54 180.27 1bnl n GLY 22 N -1.48 3.24 0.66 4.60 0.00 -0.82 -2.87 105.19 108.53 1bnl n GLY 22 Ca 0.05 -1.39 0.05 0.00 0.00 0.00 0.00 46.02 44.74 1bnl n GLY 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bnl n MET 23 N 6.71 1.86 -0.64 1.61 0.00 -0.72 -4.87 117.12 121.06 1bnl n MET 23 Ca 0.50 -1.22 0.00 0.00 0.00 0.00 0.00 57.70 56.98 1bnl n MET 23 Cb 0.40 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 32.31 1bnl n MET 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1bnl n ARG 24 N 0.46 0.00 0.00 0.03 1.74 -0.99 -3.42 116.66 114.48 1bnl n ARG 24 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1bnl n ARG 24 Cb 0.32 -3.10 0.00 0.00 -1.02 0.00 0.00 32.46 28.66 1bnl n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bnl n GLY 25 N -2.00 -0.68 0.12 -0.13 0.00 0.51 -4.31 105.19 98.70 1bnl n GLY 25 Ca 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 46.02 43.73 1bnl n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bnl h ILE 26 N 0.00 1.50 -0.82 -0.61 6.09 -1.83 -1.66 117.51 120.18 1bnl h ILE 26 Ca 0.00 -2.44 -0.02 0.00 -1.37 0.00 0.00 64.86 61.04 1bnl h ILE 26 Cb 0.00 2.32 -0.04 0.00 0.47 0.00 0.00 36.82 39.57 1bnl h ILE 26 CO 0.00 0.69 0.45 -0.09 -3.07 0.00 0.00 178.15 176.13 1bnl h ARG 27 N 0.00 1.14 -0.06 2.19 2.43 -1.91 0.40 114.38 118.57 1bnl h ARG 27 Ca -0.01 -0.13 -0.22 0.00 -0.81 0.00 0.00 59.98 58.81 1bnl h ARG 27 Cb 1.26 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1bnl h ARG 27 CO 0.09 0.83 -0.87 0.78 -1.51 0.00 0.00 179.97 179.30 1bnl h GLY 28 N 1.17 0.64 1.19 2.80 0.00 -1.68 -2.80 103.07 104.38 1bnl h GLY 28 Ca 0.29 -1.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.43 1bnl h GLY 28 CO -0.05 0.89 -0.56 0.00 0.00 0.00 0.00 176.54 176.82 1bnl h ALA 29 N 0.67 0.48 -0.85 3.60 0.00 -0.85 -3.17 119.26 119.14 1bnl h ALA 29 Ca -0.07 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1bnl h ALA 29 Cb 1.49 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1bnl h ALA 29 CO 0.16 0.68 0.56 -0.44 0.00 0.00 0.00 179.25 180.21 1bnl h ASP 30 N 0.65 0.98 0.18 0.00 3.32 -0.24 -2.58 116.42 118.74 1bnl h ASP 30 Ca 0.01 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1bnl h ASP 30 Cb 1.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1bnl h ASP 30 CO 0.12 0.72 -0.22 0.15 -1.72 0.00 0.00 179.24 178.28 1bnl h PHE 31 N 1.15 0.09 -0.05 4.55 3.57 -1.47 -2.73 116.94 122.05 1bnl h PHE 31 Ca 0.31 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.62 1bnl h PHE 31 Cb -0.13 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1bnl h PHE 31 CO -0.01 0.31 -0.74 1.96 -2.23 0.00 0.00 178.31 177.59 1bnl h GLN 32 N 0.08 0.30 -0.18 1.11 4.20 -1.44 -1.54 115.11 117.63 1bnl h GLN 32 Ca 0.01 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.36 1bnl h GLN 32 Cb 0.45 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1bnl h GLN 32 CO 0.03 0.91 -0.36 0.00 -0.67 0.00 0.00 178.83 178.75 1bnl h PHE 34 N 0.33 -0.43 0.35 0.00 3.57 -1.30 -1.85 116.94 117.61 1bnl h PHE 34 Ca 0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1bnl h PHE 34 Cb 0.78 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1bnl h PHE 34 CO 0.02 -0.09 -0.43 1.96 -2.23 0.00 0.00 178.31 177.54 1bnl h GLN 35 N -0.81 -0.77 -0.90 1.11 4.20 -1.27 -2.45 115.11 114.22 1bnl h GLN 35 Ca -0.05 0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.82 1bnl h GLN 35 Cb 0.52 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.41 1bnl h GLN 35 CO 0.08 -0.51 0.58 1.96 -0.67 0.00 0.00 178.83 180.26 1bnl h GLN 36 N -0.80 0.84 -0.03 1.46 4.20 -1.52 -1.48 115.11 117.78 1bnl h GLN 36 Ca -0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1bnl h GLN 36 Cb 0.71 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1bnl h GLN 36 CO -0.09 0.56 0.00 0.00 -0.67 0.00 0.00 178.83 178.63 1bnl h ALA 37 N 1.56 0.04 -0.00 3.87 0.00 -1.18 -2.92 119.26 120.64 1bnl h ALA 37 Ca 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1bnl h ALA 37 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bnl h ALA 37 CO -0.19 -0.31 -0.00 2.89 0.00 0.00 0.00 179.25 181.64 1bnl n ARG 38 N -4.92 0.78 0.21 0.00 1.85 -0.94 -1.90 116.66 111.74 1bnl n ARG 38 Ca -0.07 -0.02 0.11 0.00 -1.00 0.00 0.00 57.85 56.86 1bnl n ARG 38 Cb 0.16 -1.50 0.16 0.00 -1.05 0.00 0.00 32.46 30.23 1bnl n ARG 38 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bnl h ALA 39 N 3.78 0.96 -0.26 2.89 0.00 -1.08 -3.15 119.26 122.40 1bnl h ALA 39 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bnl h ALA 39 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bnl h ALA 39 CO 0.00 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.66 1bnl n VAL 40 N -3.12 1.57 -1.00 0.00 0.24 -1.11 -5.01 118.33 109.91 1bnl n VAL 40 Ca 0.04 -1.43 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 1bnl n VAL 40 Cb 0.55 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1bnl n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bnl n GLY 41 N -0.12 0.94 3.64 7.63 0.00 -1.18 -5.02 105.19 111.09 1bnl n GLY 41 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1bnl n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bnl s LEU 42 N 0.00 4.05 0.00 0.99 1.43 -0.80 -4.93 118.68 119.43 1bnl s LEU 42 Ca 0.00 1.80 0.22 0.00 -1.03 0.00 0.00 54.13 55.12 1bnl s LEU 42 Cb 0.00 -3.53 1.28 0.00 0.03 0.00 0.00 46.19 43.97 1bnl s LEU 42 CO 0.00 -1.09 1.70 0.00 0.23 0.00 0.00 176.35 177.18 1bnl n ALA 43 N 7.82 2.29 -2.08 4.21 0.00 -1.26 -4.29 120.51 127.20 1bnl n ALA 43 Ca 0.18 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 1bnl n ALA 43 Cb 0.44 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 18.69 1bnl n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bnl n GLY 44 N 0.41 -0.74 3.31 0.00 0.00 -1.26 -5.06 105.19 101.85 1bnl n GLY 44 Ca 0.16 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1bnl n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bnl s THR 45 N -3.30 4.59 -0.18 2.61 -4.23 -1.26 -5.00 115.64 108.87 1bnl s THR 45 Ca 0.64 -1.32 -0.08 0.00 -1.18 0.00 0.00 61.69 59.76 1bnl s THR 45 Cb -0.02 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1bnl s THR 45 CO 0.44 -0.56 0.08 -0.36 -0.54 0.00 0.00 174.62 173.68 1bnl s PHE 46 N 1.50 3.31 0.10 3.99 0.40 -1.26 0.18 117.98 126.19 1bnl s PHE 46 Ca 0.03 0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.61 1bnl s PHE 46 Cb -0.24 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1bnl s PHE 46 CO 0.03 0.24 -0.20 1.03 0.70 0.00 0.00 175.22 177.02 1bnl s ARG 47 N 0.21 1.09 0.07 0.44 0.52 -0.74 -4.41 118.95 116.13 1bnl s ARG 47 Ca 0.05 -1.14 -0.31 0.00 -0.52 0.00 0.00 55.73 53.82 1bnl s ARG 47 Cb -0.12 -1.32 -0.08 0.00 0.52 0.00 0.00 34.95 33.95 1bnl s ARG 47 CO -0.00 0.31 1.62 0.00 0.02 0.00 0.00 175.30 177.24 1bnl s ALA 48 N -1.18 3.68 -1.27 2.13 0.00 -1.26 -1.96 121.76 121.90 1bnl s ALA 48 Ca 0.05 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 53.01 1bnl s ALA 48 Cb -0.10 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.38 1bnl s ALA 48 CO 0.04 -1.06 1.76 0.12 0.00 0.00 0.00 175.76 176.63 1bnl s PHE 49 N 2.48 2.62 0.15 0.00 5.36 1.00 -4.84 117.98 124.75 1bnl s PHE 49 Ca 0.72 -1.22 -0.16 0.00 -0.96 0.00 0.00 56.93 55.31 1bnl s PHE 49 Cb -0.39 -4.62 0.03 0.00 -0.34 0.00 0.00 43.02 37.70 1bnl s PHE 49 CO 0.32 -1.71 0.44 -0.51 -1.46 0.00 0.00 175.22 172.30 1bnl s LEU 50 N 5.47 0.28 -0.18 6.12 1.43 -1.26 -4.45 118.68 126.08 1bnl s LEU 50 Ca 0.56 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1bnl s LEU 50 Cb 0.03 1.94 -0.04 0.00 0.03 0.00 0.00 46.19 48.15 1bnl s LEU 50 CO 0.08 -0.92 0.06 -0.55 0.23 0.00 0.00 176.35 175.25 1bnl s SER 51 N -2.83 5.61 0.38 2.29 0.15 -0.34 -4.23 113.70 114.71 1bnl s SER 51 Ca 0.06 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.80 1bnl s SER 51 Cb 0.01 -1.95 -0.01 0.00 -1.71 0.00 0.00 66.02 62.36 1bnl s SER 51 CO -0.09 0.18 0.05 -1.54 1.20 0.00 0.00 173.24 173.05 1bnl n SER 52 N 3.49 2.28 -0.27 5.45 3.41 -0.91 -4.72 113.62 122.35 1bnl n SER 52 Ca -0.17 -2.78 0.08 0.00 -0.26 0.00 0.00 58.87 55.75 1bnl n SER 52 Cb 0.52 0.52 0.20 0.00 -0.26 0.00 0.00 64.21 65.20 1bnl n SER 52 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bnl h ARG 53 N 0.00 0.15 -0.41 4.33 2.43 -1.95 -2.67 114.38 116.25 1bnl h ARG 53 Ca -0.30 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1bnl h ARG 53 Cb 1.01 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1bnl h ARG 53 CO 0.50 0.10 0.00 1.28 -1.51 0.00 0.00 179.97 180.33 1bnl n LEU 54 N -5.29 3.20 -3.79 3.80 4.77 -1.26 -5.02 117.00 113.40 1bnl n LEU 54 Ca 0.16 -2.07 -0.11 0.00 -0.03 0.00 0.00 56.01 53.97 1bnl n LEU 54 Cb 0.54 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1bnl n LEU 54 CO 0.06 0.77 -0.03 0.00 -1.33 0.00 0.00 177.39 176.86 1bnl s GLN 55 N -1.13 0.78 0.10 3.23 -2.07 -1.01 -5.15 119.66 114.41 1bnl s GLN 55 Ca 0.29 -0.60 0.01 0.00 -1.82 0.00 0.00 55.36 53.25 1bnl s GLN 55 Cb 0.16 0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 32.37 1bnl s GLN 55 CO 0.18 -0.24 0.23 -0.51 -1.32 0.00 0.00 175.29 173.63 1bnl s ASP 56 N -2.16 6.30 0.37 12.60 1.11 -1.26 -2.13 116.67 131.49 1bnl s ASP 56 Ca -0.04 0.21 0.06 0.00 0.18 0.00 0.00 52.55 52.96 1bnl s ASP 56 Cb -0.00 -1.91 0.75 0.00 1.07 0.00 0.00 42.92 42.83 1bnl s ASP 56 CO -0.04 0.12 1.97 0.25 1.18 0.00 0.00 175.17 178.65 1bnl h LEU 57 N 2.69 0.64 -0.59 1.23 5.85 -1.54 -2.69 115.31 120.90 1bnl h LEU 57 Ca -0.47 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1bnl h LEU 57 Cb 1.18 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1bnl h LEU 57 CO 0.72 0.43 0.26 0.22 -0.34 0.00 0.00 178.44 179.73 1bnl h TYR 58 N 0.74 0.47 0.00 1.25 3.20 -1.56 -2.88 116.97 118.19 1bnl h TYR 58 Ca 0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1bnl h TYR 58 Cb 0.20 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1bnl h TYR 58 CO -0.00 0.18 0.00 0.43 -1.64 0.00 0.00 178.16 177.13 1bnl n SER 59 N -4.92 0.63 0.07 -2.11 7.64 -1.02 -3.68 113.62 110.24 1bnl n SER 59 Ca 0.07 -1.63 -0.22 0.00 1.01 0.00 0.00 58.87 58.10 1bnl n SER 59 Cb 0.21 -0.31 -0.15 0.00 -1.01 0.00 0.00 64.21 62.95 1bnl n SER 59 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1bnl h ILE 60 N 0.00 1.26 -3.42 0.44 1.08 -1.65 -3.44 117.51 111.76 1bnl h ILE 60 Ca 0.00 -2.55 -0.54 0.00 -0.39 0.00 0.00 64.86 61.37 1bnl h ILE 60 Cb 0.31 2.99 -0.04 0.00 -3.07 0.00 0.00 36.82 37.02 1bnl h ILE 60 CO 0.00 0.76 0.21 -0.69 -0.69 0.00 0.00 178.15 177.74 1bnl s VAL 61 N -2.51 4.81 0.22 1.67 1.01 -1.24 -4.63 120.40 119.73 1bnl s VAL 61 Ca -0.14 1.73 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 1bnl s VAL 61 Cb 0.03 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1bnl s VAL 61 CO 0.86 0.29 1.22 0.00 0.00 0.00 0.00 175.10 177.46 1bnl s ARG 62 N 0.40 4.47 0.15 2.72 1.70 -0.64 -4.89 118.95 122.87 1bnl s ARG 62 Ca 0.42 1.94 -0.06 0.00 -0.47 0.00 0.00 55.73 57.56 1bnl s ARG 62 Cb -0.20 -3.21 0.24 0.00 -0.57 0.00 0.00 34.95 31.21 1bnl s ARG 62 CO 0.24 -0.09 0.89 -2.13 -1.08 0.00 0.00 175.30 173.12 1bnl n ARG 63 N 2.19 -0.07 0.20 3.89 0.63 -1.26 -0.22 116.66 122.02 1bnl n ARG 63 Ca 0.04 0.89 0.18 0.00 -0.92 0.00 0.00 57.85 58.04 1bnl n ARG 63 Cb 0.44 -1.33 0.82 0.00 0.45 0.00 0.00 32.46 32.84 1bnl n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bnl h ALA 64 N 1.07 1.77 -0.31 5.13 0.00 -1.99 -1.95 119.26 122.99 1bnl h ALA 64 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1bnl h ALA 64 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1bnl h ALA 64 CO -0.59 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 178.00 1bnl n ASP 65 N -3.53 3.74 -0.04 0.00 8.00 0.70 -4.66 116.55 120.76 1bnl n ASP 65 Ca 0.03 -2.74 -0.04 0.00 0.71 0.00 0.00 54.79 52.75 1bnl n ASP 65 Cb 0.43 -0.47 -0.14 0.00 -0.02 0.00 0.00 41.12 40.92 1bnl n ASP 65 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bnl n ARG 66 N -0.15 0.66 0.03 -1.24 1.74 -0.73 -4.30 116.66 112.67 1bnl n ARG 66 Ca 0.19 0.08 0.03 0.00 -0.77 0.00 0.00 57.85 57.38 1bnl n ARG 66 Cb 0.79 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 30.50 1bnl n ARG 66 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bnl n ALA 67 N -2.55 2.13 0.00 7.54 0.00 -1.26 -1.99 120.51 124.39 1bnl n ALA 67 Ca -0.20 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1bnl n ALA 67 Cb 0.97 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1bnl n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bnl n ALA 68 N -2.37 3.00 -1.42 0.00 0.00 -1.26 -4.90 120.51 113.57 1bnl n ALA 68 Ca -0.09 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.79 1bnl n ALA 68 Cb 0.77 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 20.41 1bnl n ALA 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bnl n VAL 69 N -2.82 0.12 -1.93 0.00 0.31 -1.26 -4.49 118.33 108.26 1bnl n VAL 69 Ca 0.00 -0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 63.81 1bnl n VAL 69 Cb 0.27 -1.08 -0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1bnl n VAL 69 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1bnl s PRO 70 N 5.64 4.02 -0.44 5.55 0.05 -1.18 -4.24 135.00 144.40 1bnl s PRO 70 Ca 1.12 2.36 -0.19 0.00 0.05 0.00 0.00 61.00 64.34 1bnl s PRO 70 Cb -1.17 -2.86 0.03 0.00 0.05 0.00 0.00 34.50 30.55 1bnl s PRO 70 CO 0.60 -0.52 0.54 0.42 0.05 0.00 0.00 177.00 178.09 1bnl s ILE 71 N -1.18 4.96 0.38 0.56 -1.09 -0.12 -1.14 121.20 123.57 1bnl s ILE 71 Ca 0.55 -0.23 0.08 0.00 -2.23 0.00 0.00 60.65 58.82 1bnl s ILE 71 Cb -0.42 -4.15 -0.06 0.00 -1.58 0.00 0.00 42.46 36.25 1bnl s ILE 71 CO 0.56 -0.56 0.07 0.68 -1.23 0.00 0.00 174.94 174.46 1bnl s VAL 72 N 2.46 2.42 0.64 2.92 -7.23 0.72 -0.52 120.40 121.81 1bnl s VAL 72 Ca 0.16 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1bnl s VAL 72 Cb -0.17 -2.91 0.12 0.00 0.56 0.00 0.00 36.38 33.99 1bnl s VAL 72 CO 0.15 -0.10 0.88 -0.46 -0.31 0.00 0.00 175.10 175.26 1bnl n ASN 73 N -1.06 1.34 0.29 4.85 0.23 0.07 -0.34 115.26 120.64 1bnl n ASN 73 Ca -0.03 -2.09 0.18 0.00 -0.53 0.00 0.00 54.58 52.10 1bnl n ASN 73 Cb 0.64 -0.55 0.97 0.00 -2.08 0.00 0.00 39.78 38.75 1bnl n ASN 73 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1bnl h LEU 74 N 0.00 0.00 -2.08 -4.53 5.85 -1.84 0.29 115.31 112.99 1bnl h LEU 74 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1bnl h LEU 74 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1bnl h LEU 74 CO 0.33 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.72 1bnl n LYS 75 N -2.79 2.40 -0.94 1.25 4.76 -1.26 -4.94 118.16 116.63 1bnl n LYS 75 Ca -0.02 -2.07 0.00 0.00 -2.87 0.00 0.00 58.31 53.35 1bnl n LYS 75 Cb 0.12 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 1bnl n LYS 75 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1bnl n ASP 76 N 1.41 -1.17 -4.77 4.39 8.00 0.10 -5.02 116.55 119.49 1bnl n ASP 76 Ca 0.16 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.29 1bnl n ASP 76 Cb 0.60 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 1bnl n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1bnl s GLU 77 N -0.06 4.00 0.14 -1.24 2.02 -1.26 -4.65 118.70 117.64 1bnl s GLU 77 Ca 0.00 1.69 -0.30 0.00 0.02 0.00 0.00 54.97 56.38 1bnl s GLU 77 Cb 0.00 -2.54 -0.07 0.00 0.10 0.00 0.00 34.13 31.62 1bnl s GLU 77 CO 0.00 -0.33 1.20 -1.17 0.02 0.00 0.00 175.26 174.98 1bnl s LEU 78 N -2.72 4.42 -0.03 1.80 2.96 -1.26 -0.76 118.68 123.09 1bnl s LEU 78 Ca 0.59 2.15 -0.07 0.00 -0.22 0.00 0.00 54.13 56.58 1bnl s LEU 78 Cb -0.27 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.80 1bnl s LEU 78 CO 0.33 -0.41 -0.14 0.18 -1.32 0.00 0.00 176.35 174.99 1bnl n LEU 79 N 3.08 1.32 -4.04 -0.68 4.77 0.33 -4.91 117.00 116.86 1bnl n LEU 79 Ca 0.06 0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 56.05 1bnl n LEU 79 Cb 0.45 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.91 1bnl n LEU 79 CO 0.56 -0.53 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.29 1bnl s PHE 80 N -2.25 0.89 0.32 -1.77 0.08 -0.64 -4.78 117.98 109.83 1bnl s PHE 80 Ca -0.12 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 56.79 1bnl s PHE 80 Cb 0.02 -0.57 0.66 0.00 -0.57 0.00 0.00 43.02 42.56 1bnl s PHE 80 CO 0.18 -0.01 1.89 -1.00 -0.10 0.00 0.00 175.22 176.17 1bnl h PRO 81 N 5.81 0.85 -2.74 0.24 0.13 -1.93 -0.29 132.00 134.08 1bnl h PRO 81 Ca -0.32 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 64.87 1bnl h PRO 81 Cb 1.18 -0.19 -0.06 0.00 0.13 0.00 0.00 31.00 32.06 1bnl h PRO 81 CO 0.49 0.56 0.34 -1.54 -0.23 0.00 0.00 178.00 177.62 1bnl s SER 82 N -5.91 -0.20 0.16 1.44 1.04 -1.26 -3.07 113.70 105.89 1bnl s SER 82 Ca -0.11 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 1bnl s SER 82 Cb 0.21 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.98 1bnl s SER 82 CO 0.79 -1.20 1.56 -0.25 0.98 0.00 0.00 173.24 175.13 1bnl h TRP 83 N 2.00 1.11 -0.78 5.02 2.91 -1.72 -2.65 115.95 121.83 1bnl h TRP 83 Ca -0.22 -0.25 -0.04 0.00 1.13 0.00 0.00 58.89 59.51 1bnl h TRP 83 Cb 1.24 -0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 29.59 1bnl h TRP 83 CO 0.51 1.06 0.33 0.93 -1.03 0.00 0.00 178.44 180.24 1bnl h GLU 84 N 0.83 1.16 -0.52 2.65 5.08 -1.75 -1.60 114.58 120.44 1bnl h GLU 84 Ca 0.12 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1bnl h GLU 84 Cb 0.72 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1bnl h GLU 84 CO 0.06 0.94 0.34 0.00 -1.00 0.00 0.00 179.01 179.35 1bnl h ALA 85 N 1.17 0.66 0.28 3.43 0.00 -1.82 -1.94 119.26 121.04 1bnl h ALA 85 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bnl h ALA 85 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1bnl h ALA 85 CO -0.02 0.10 -0.25 1.25 0.00 0.00 0.00 179.25 180.32 1bnl h LEU 86 N 0.70 -0.66 -3.75 0.00 6.46 -1.10 -3.09 115.31 113.87 1bnl h LEU 86 Ca 0.19 0.06 -0.45 0.00 -0.12 0.00 0.00 57.88 57.56 1bnl h LEU 86 Cb -0.07 0.22 -0.19 0.00 -0.73 0.00 0.00 40.66 39.89 1bnl h LEU 86 CO -0.05 -0.37 0.57 0.49 -0.62 0.00 0.00 178.44 178.46 1bnl n PHE 87 N -5.38 2.09 0.65 1.25 3.72 -0.64 -3.89 117.46 115.27 1bnl n PHE 87 Ca -0.09 -2.30 0.11 0.00 -0.05 0.00 0.00 57.45 55.12 1bnl n PHE 87 Cb 0.28 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.68 1bnl n PHE 87 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1bnl n SER 88 N -0.02 0.63 0.00 4.37 3.41 -0.74 -4.64 113.62 116.63 1bnl n SER 88 Ca 0.42 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1bnl n SER 88 Cb 0.59 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 1bnl n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bnl n GLY 89 N 1.40 0.95 0.41 5.00 0.00 -1.24 -4.97 105.19 106.74 1bnl n GLY 89 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1bnl n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bnl n SER 90 N 0.00 1.23 -2.41 1.61 7.64 -1.26 -4.90 113.62 115.52 1bnl n SER 90 Ca 0.00 -1.77 -0.21 0.00 1.01 0.00 0.00 58.87 57.90 1bnl n SER 90 Cb 0.00 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.08 1bnl n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1bnl n GLU 91 N 0.08 -1.75 -3.34 1.43 1.02 -1.26 -3.82 120.64 112.99 1bnl n GLU 91 Ca 0.13 1.02 -0.12 0.00 -0.02 0.00 0.00 57.16 58.16 1bnl n GLU 91 Cb 0.23 -5.69 0.01 0.00 -0.02 0.00 0.00 31.44 25.98 1bnl n GLU 91 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bnl n GLY 92 N -1.03 -1.21 3.65 0.62 0.00 -1.25 -1.59 105.19 104.37 1bnl n GLY 92 Ca -0.25 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1bnl n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bnl s PRO 93 N -4.05 3.98 -0.07 1.61 0.05 -1.25 -1.39 135.00 133.88 1bnl s PRO 93 Ca 0.12 2.32 -0.30 0.00 0.05 0.00 0.00 61.00 63.20 1bnl s PRO 93 Cb -0.03 -4.13 -0.04 0.00 0.05 0.00 0.00 34.50 30.34 1bnl s PRO 93 CO 0.80 -1.12 1.49 -0.51 0.05 0.00 0.00 177.00 177.71 1bnl s LEU 94 N 4.95 4.28 1.01 -3.56 1.43 0.90 -4.98 118.68 122.71 1bnl s LEU 94 Ca 0.84 2.06 -0.12 0.00 -1.03 0.00 0.00 54.13 55.89 1bnl s LEU 94 Cb -0.37 -3.54 0.20 0.00 0.03 0.00 0.00 46.19 42.50 1bnl s LEU 94 CO 0.36 -0.84 1.08 -0.75 0.23 0.00 0.00 176.35 176.43 1bnl s LYS 95 N 3.51 0.33 -0.03 1.70 2.20 -1.26 -4.87 119.74 121.31 1bnl s LYS 95 Ca 0.66 0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 56.75 1bnl s LYS 95 Cb -0.30 -1.70 -0.08 0.00 -1.51 0.00 0.00 37.83 34.23 1bnl s LYS 95 CO 0.25 -2.87 2.03 -2.30 -0.36 0.00 0.00 175.35 172.10 1bnl n PRO 96 N -4.31 2.59 -2.18 4.03 -0.02 -1.26 -2.72 135.00 131.14 1bnl n PRO 96 Ca 0.06 0.91 -0.14 0.00 -2.02 0.00 0.00 63.50 62.31 1bnl n PRO 96 Cb 0.55 -3.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.00 1bnl n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bnl n GLY 97 N 4.83 -0.04 3.78 -1.23 0.00 -1.26 -5.02 105.19 106.25 1bnl n GLY 97 Ca 0.23 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1bnl n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bnl s ALA 98 N -2.66 3.20 0.03 4.61 0.00 -1.10 -5.07 121.76 120.78 1bnl s ALA 98 Ca 0.00 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1bnl s ALA 98 Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1bnl s ALA 98 CO 0.00 0.17 -0.09 -0.98 0.00 0.00 0.00 175.76 174.86 1bnl s ARG 99 N -2.11 0.62 -0.06 0.00 1.70 -1.26 -4.97 118.95 112.87 1bnl s ARG 99 Ca 0.51 -0.63 -0.03 0.00 -0.47 0.00 0.00 55.73 55.11 1bnl s ARG 99 Cb -0.18 -0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 33.65 1bnl s ARG 99 CO 0.23 0.12 0.07 0.42 -1.08 0.00 0.00 175.30 175.06 1bnl s ILE 100 N -0.93 4.79 0.05 4.99 1.09 -1.26 -4.85 121.20 125.07 1bnl s ILE 100 Ca -0.04 -0.18 0.08 0.00 -1.10 0.00 0.00 60.65 59.41 1bnl s ILE 100 Cb -0.08 -3.10 -0.03 0.00 -1.06 0.00 0.00 42.46 38.20 1bnl s ILE 100 CO 0.01 0.52 -0.23 -0.36 -0.10 0.00 0.00 174.94 174.77 1bnl s PHE 101 N -1.04 2.05 0.76 3.97 0.08 -1.26 -2.79 117.98 119.75 1bnl s PHE 101 Ca 0.17 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.72 1bnl s PHE 101 Cb -0.12 -1.22 0.05 0.00 -0.57 0.00 0.00 43.02 41.15 1bnl s PHE 101 CO 0.07 0.11 1.11 -1.54 -0.10 0.00 0.00 175.22 174.87 1bnl s SER 102 N -1.21 4.93 0.36 1.36 1.04 -0.40 -1.79 113.70 117.98 1bnl s SER 102 Ca 0.10 1.13 0.09 0.00 0.48 0.00 0.00 55.95 57.75 1bnl s SER 102 Cb -0.09 -1.86 0.83 0.00 0.10 0.00 0.00 66.02 65.00 1bnl s SER 102 CO 0.02 -1.67 1.88 -0.26 0.98 0.00 0.00 173.24 174.18 1bnl h PHE 103 N -0.89 0.79 -0.14 5.02 0.04 -1.70 -0.01 116.94 120.07 1bnl h PHE 103 Ca -0.46 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1bnl h PHE 103 Cb 1.27 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.17 1bnl h PHE 103 CO 0.45 0.30 0.00 -0.40 -0.60 0.00 0.00 178.31 178.06 1bnl n ASP 104 N -4.55 0.77 0.00 2.17 5.68 -1.26 -4.91 116.55 114.45 1bnl n ASP 104 Ca 0.17 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1bnl n ASP 104 Cb 0.46 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1bnl n ASP 104 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bnl n GLY 105 N 0.70 0.55 3.79 6.12 0.00 -0.02 -5.06 105.19 111.27 1bnl n GLY 105 Ca 0.05 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1bnl n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnl s LYS 106 N -0.90 4.42 -0.69 1.61 1.02 -1.26 -4.79 119.74 119.15 1bnl s LYS 106 Ca 0.00 1.01 -0.26 0.00 0.02 0.00 0.00 55.97 56.74 1bnl s LYS 106 Cb 0.00 -3.17 0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1bnl s LYS 106 CO 0.00 0.55 1.17 0.34 -0.92 0.00 0.00 175.35 176.49 1bnl s ASP 107 N -1.25 6.20 0.32 2.83 -1.08 -1.26 -1.27 116.67 121.16 1bnl s ASP 107 Ca 0.36 -0.55 0.10 0.00 -0.52 0.00 0.00 52.55 51.94 1bnl s ASP 107 Cb -0.21 -2.51 0.96 0.00 -1.46 0.00 0.00 42.92 39.70 1bnl s ASP 107 CO 0.24 -1.67 1.65 0.58 0.52 0.00 0.00 175.17 176.49 1bnl h VAL 108 N 6.02 0.29 0.00 1.11 2.07 -1.87 -1.71 116.25 122.16 1bnl h VAL 108 Ca -0.28 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1bnl h VAL 108 Cb 1.06 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1bnl h VAL 108 CO 1.24 0.05 0.00 -0.11 0.02 0.00 0.00 177.57 178.76 1bnl n LEU 109 N -5.13 0.13 -1.35 2.57 -0.00 -1.26 -3.94 117.00 108.01 1bnl n LEU 109 Ca 0.28 0.51 0.04 0.00 -0.00 0.00 0.00 56.01 56.84 1bnl n LEU 109 Cb 0.89 -0.48 0.03 0.00 -0.00 0.00 0.00 43.42 43.87 1bnl n LEU 109 CO 0.08 -0.05 0.10 -2.11 -0.00 0.00 0.00 177.39 175.40 1bnl n ARG 110 N -1.62 0.14 -4.13 1.96 1.85 -0.69 -5.05 116.66 109.12 1bnl n ARG 110 Ca 0.06 -2.05 -0.24 0.00 -1.00 0.00 0.00 57.85 54.63 1bnl n ARG 110 Cb 0.34 -0.17 -0.17 0.00 -1.05 0.00 0.00 32.46 31.41 1bnl n ARG 110 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1bnl s HIS 111 N -0.28 1.16 -0.46 2.89 2.46 -0.93 -4.96 115.29 115.17 1bnl s HIS 111 Ca 0.32 -0.46 0.00 0.00 0.47 0.00 0.00 55.06 55.39 1bnl s HIS 111 Cb 0.36 -0.98 0.00 0.00 -0.13 0.00 0.00 32.58 31.84 1bnl s HIS 111 CO -0.15 -0.34 0.67 -0.35 -2.47 0.00 0.00 174.74 172.10 1bnl n PRO 112 N 4.45 0.00 0.25 2.88 -0.04 -1.26 -2.23 135.00 139.05 1bnl n PRO 112 Ca -0.18 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1bnl n PRO 112 Cb 0.51 -1.76 0.65 0.00 -0.04 0.00 0.00 33.50 32.85 1bnl n PRO 112 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1bnl h THR 113 N 0.00 0.50 -3.43 0.52 2.02 -1.96 -3.32 112.91 107.24 1bnl h THR 113 Ca 0.00 -0.73 -0.67 0.00 0.77 0.00 0.00 66.41 65.79 1bnl h THR 113 Cb 0.52 1.50 -0.38 0.00 -1.74 0.00 0.00 68.15 68.05 1bnl h THR 113 CO 0.00 0.14 -0.48 0.26 0.37 0.00 0.00 175.52 175.82 1bnl s TRP 114 N -3.96 3.34 0.11 3.16 0.51 -0.95 -4.42 118.94 116.73 1bnl s TRP 114 Ca -0.01 -2.99 -0.17 0.00 -2.12 0.00 0.00 56.10 50.81 1bnl s TRP 114 Cb 0.12 -3.00 -0.05 0.00 -0.81 0.00 0.00 33.47 29.73 1bnl s TRP 114 CO 0.59 -0.77 1.59 -1.35 -0.51 0.00 0.00 176.95 176.51 1bnl h PRO 115 N 6.60 0.52 -5.07 4.98 0.11 -1.84 -3.41 132.00 133.90 1bnl h PRO 115 Ca -0.02 -0.14 -0.65 0.00 0.11 0.00 0.00 66.00 65.30 1bnl h PRO 115 Cb 0.90 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 31.79 1bnl h PRO 115 CO 0.71 0.61 -0.22 -0.65 -0.21 0.00 0.00 178.00 178.23 1bnl s GLN 116 N -5.22 3.70 -0.99 1.05 -1.52 -1.26 -5.01 119.66 110.42 1bnl s GLN 116 Ca -0.13 -0.24 -0.05 0.00 -1.95 0.00 0.00 55.36 52.99 1bnl s GLN 116 Cb 0.09 -3.76 0.05 0.00 -0.22 0.00 0.00 33.01 29.17 1bnl s GLN 116 CO 0.75 -0.48 2.65 1.63 -0.25 0.00 0.00 175.29 179.59 1bnl n LYS 117 N 5.44 3.65 -4.45 2.91 4.76 -1.26 -4.49 118.16 124.71 1bnl n LYS 117 Ca -0.08 -2.82 -0.23 0.00 -2.87 0.00 0.00 58.31 52.31 1bnl n LYS 117 Cb 0.50 -2.45 -0.10 0.00 -1.84 0.00 0.00 35.03 31.13 1bnl n LYS 117 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1bnl s SER 118 N 0.65 3.29 -0.06 4.39 0.01 -1.26 -1.12 113.70 119.60 1bnl s SER 118 Ca 0.58 -1.09 0.05 0.00 1.31 0.00 0.00 55.95 56.80 1bnl s SER 118 Cb 0.26 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 1bnl s SER 118 CO -0.13 -0.11 -0.22 -0.69 0.41 0.00 0.00 173.24 172.50 1bnl s VAL 119 N -2.70 1.86 -0.08 3.43 1.01 0.58 -0.68 120.40 123.82 1bnl s VAL 119 Ca 0.29 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 1bnl s VAL 119 Cb -0.01 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1bnl s VAL 119 CO 0.13 0.52 0.86 0.26 0.00 0.00 0.00 175.10 176.87 1bnl s TRP 120 N 0.04 3.55 0.00 5.22 0.23 -0.25 -0.86 118.94 126.87 1bnl s TRP 120 Ca -0.08 1.43 0.00 0.00 -2.03 0.00 0.00 56.10 55.43 1bnl s TRP 120 Cb -0.14 -3.01 0.00 0.00 0.03 0.00 0.00 33.47 30.35 1bnl s TRP 120 CO 0.04 -0.08 0.00 -2.39 0.96 0.00 0.00 176.95 175.49 1bnl n HIS 121 N 4.39 0.00 -2.17 -1.98 1.44 -0.12 -4.68 115.22 112.10 1bnl n HIS 121 Ca 0.04 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.63 1bnl n HIS 121 Cb 0.50 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.60 1bnl n HIS 121 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bnl n GLY 122 N 0.88 -0.10 3.34 -1.39 0.00 -0.60 -1.20 105.19 106.12 1bnl n GLY 122 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1bnl n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bnl s SER 123 N -2.01 2.06 0.77 1.61 0.01 -1.26 -2.09 113.70 112.79 1bnl s SER 123 Ca 0.00 -1.17 -0.06 0.00 1.31 0.00 0.00 55.95 56.03 1bnl s SER 123 Cb 0.00 -0.04 0.13 0.00 0.21 0.00 0.00 66.02 66.32 1bnl s SER 123 CO 0.00 -0.43 1.07 1.51 0.41 0.00 0.00 173.24 175.80 1bnl s ASP 124 N -3.31 4.17 0.03 2.44 -4.77 0.01 -4.89 116.67 110.34 1bnl s ASP 124 Ca 0.27 -0.02 0.03 0.00 -3.30 0.00 0.00 52.55 49.52 1bnl s ASP 124 Cb 0.04 -0.35 0.14 0.00 -1.09 0.00 0.00 42.92 41.66 1bnl s ASP 124 CO 0.08 -1.99 1.09 -0.81 0.70 0.00 0.00 175.17 174.23 1bnl n PRO 125 N -3.06 0.01 -0.56 2.11 -0.04 -1.26 -1.38 135.00 130.82 1bnl n PRO 125 Ca 0.13 0.50 0.08 0.00 -0.04 0.00 0.00 63.50 64.17 1bnl n PRO 125 Cb 0.60 -1.54 0.30 0.00 -0.04 0.00 0.00 33.50 32.82 1bnl n PRO 125 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1bnl n ASN 126 N -1.57 4.40 -1.80 3.54 4.13 -1.26 -3.66 115.26 119.04 1bnl n ASN 126 Ca 0.00 -2.85 -0.14 0.00 1.68 0.00 0.00 54.58 53.27 1bnl n ASN 126 Cb 0.01 -0.56 0.01 0.00 -1.54 0.00 0.00 39.78 37.70 1bnl n ASN 126 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bnl n GLY 127 N 0.05 -0.13 3.73 7.41 0.00 -0.48 -4.76 105.19 111.01 1bnl n GLY 127 Ca 0.23 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1bnl n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bnl s ARG 128 N -5.00 3.03 0.42 1.61 0.52 -1.26 -1.49 118.95 116.78 1bnl s ARG 128 Ca 0.10 -0.43 -0.25 0.00 -0.52 0.00 0.00 55.73 54.63 1bnl s ARG 128 Cb -0.05 -2.84 -0.08 0.00 0.52 0.00 0.00 34.95 32.50 1bnl s ARG 128 CO 0.13 0.68 1.30 -0.98 0.02 0.00 0.00 175.30 176.46 1bnl s ARG 129 N -1.27 3.88 -0.40 3.54 1.70 -1.26 -0.81 118.95 124.34 1bnl s ARG 129 Ca 0.17 2.15 0.04 0.00 -0.47 0.00 0.00 55.73 57.62 1bnl s ARG 129 Cb -0.12 -2.70 0.11 0.00 -0.57 0.00 0.00 34.95 31.68 1bnl s ARG 129 CO 0.07 -0.56 0.12 -0.51 -1.08 0.00 0.00 175.30 173.34 1bnl s LEU 130 N -2.56 4.58 0.28 -1.89 1.43 -0.89 -4.83 118.68 114.80 1bnl s LEU 130 Ca 0.58 -2.42 0.22 0.00 -1.03 0.00 0.00 54.13 51.49 1bnl s LEU 130 Cb -0.38 -1.62 1.04 0.00 0.03 0.00 0.00 46.19 45.26 1bnl s LEU 130 CO 0.48 -0.33 1.68 0.35 0.23 0.00 0.00 176.35 178.76 1bnl n THR 131 N 3.90 0.92 1.27 5.49 -2.24 -1.26 -1.18 114.28 121.18 1bnl n THR 131 Ca 0.04 0.42 0.13 0.00 -2.27 0.00 0.00 64.05 62.38 1bnl n THR 131 Cb 0.39 -1.38 0.34 0.00 -2.10 0.00 0.00 70.33 67.57 1bnl n THR 131 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bnl n GLU 132 N -2.23 1.40 -2.84 -0.78 -0.58 -1.26 -4.53 120.64 109.81 1bnl n GLU 132 Ca 0.01 -0.94 -0.11 0.00 -0.42 0.00 0.00 57.16 55.70 1bnl n GLU 132 Cb 0.15 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 29.60 1bnl n GLU 132 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1bnl n SER 133 N 0.02 -1.72 -2.75 1.62 2.88 -0.33 -4.79 113.62 108.56 1bnl n SER 133 Ca 0.14 -3.48 -0.02 0.00 -1.33 0.00 0.00 58.87 54.18 1bnl n SER 133 Cb 0.40 1.34 0.08 0.00 -0.75 0.00 0.00 64.21 65.28 1bnl n SER 133 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bnl n TYR 134 N 0.55 -0.06 -4.20 0.66 0.18 -1.12 -0.59 117.16 112.58 1bnl n TYR 134 Ca 0.11 -2.09 -0.34 0.00 1.88 0.00 0.00 57.90 57.46 1bnl n TYR 134 Cb 0.68 0.44 -0.06 0.00 -0.38 0.00 0.00 39.34 40.02 1bnl n TYR 134 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1bnl n GLU 136 N -4.68 -1.72 -3.66 0.00 1.02 -1.26 -0.68 120.64 109.65 1bnl n GLU 136 Ca -0.27 0.29 -0.22 0.00 -0.02 0.00 0.00 57.16 56.95 1bnl n GLU 136 Cb 0.66 -3.84 0.05 0.00 -0.02 0.00 0.00 31.44 28.29 1bnl n GLU 136 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1bnl n THR 137 N -4.52 -4.35 -3.79 2.62 5.66 -0.00 -3.12 114.28 106.78 1bnl n THR 137 Ca -0.22 -0.38 -0.30 0.00 -3.05 0.00 0.00 64.05 60.10 1bnl n THR 137 Cb 0.64 -3.96 0.02 0.00 -1.55 0.00 0.00 70.33 65.48 1bnl n THR 137 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1bnl n TRP 138 N -4.37 -1.80 0.00 1.09 7.02 0.14 -4.22 117.44 115.30 1bnl n TRP 138 Ca -0.22 0.52 0.00 0.00 -1.02 0.00 0.00 57.50 56.78 1bnl n TRP 138 Cb 0.64 -3.52 0.00 0.00 -2.42 0.00 0.00 31.31 26.02 1bnl n TRP 138 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1bnl n ARG 139 N -4.31 0.97 -4.27 -0.99 5.12 -0.73 -0.37 116.66 112.08 1bnl n ARG 139 Ca -0.16 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.55 1bnl n ARG 139 Cb 0.62 -0.96 -0.12 0.00 -1.16 0.00 0.00 32.46 30.84 1bnl n ARG 139 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1bnl s THR 140 N -1.85 1.56 -0.10 0.55 -1.32 -1.20 -4.57 115.64 108.71 1bnl s THR 140 Ca 0.00 -1.65 0.18 0.00 -1.21 0.00 0.00 61.69 59.02 1bnl s THR 140 Cb 0.00 -1.55 0.41 0.00 -1.51 0.00 0.00 72.50 69.85 1bnl s THR 140 CO 0.00 -0.23 1.19 -1.84 -2.21 0.00 0.00 174.62 171.52 1bnl n GLU 141 N 0.78 0.77 -2.32 7.08 0.28 -1.26 -1.94 120.64 124.03 1bnl n GLU 141 Ca -0.17 -2.60 -0.42 0.00 -0.16 0.00 0.00 57.16 53.80 1bnl n GLU 141 Cb 0.55 -0.81 -0.03 0.00 1.43 0.00 0.00 31.44 32.59 1bnl n GLU 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bnl s ALA 142 N -1.58 3.48 0.63 -1.84 0.00 -1.26 -2.72 121.76 118.47 1bnl s ALA 142 Ca 0.35 0.93 0.38 0.00 0.00 0.00 0.00 51.96 53.62 1bnl s ALA 142 Cb 0.37 -3.49 2.06 0.00 0.00 0.00 0.00 23.12 22.06 1bnl s ALA 142 CO -0.11 -0.55 2.16 -1.35 0.00 0.00 0.00 175.76 175.91 1bnl h PRO 143 N 6.92 0.00 0.00 0.00 0.11 -1.94 0.22 132.00 137.31 1bnl h PRO 143 Ca -0.41 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.51 1bnl h PRO 143 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1bnl h PRO 143 CO 0.84 0.00 -0.89 0.66 -0.21 0.00 0.00 178.00 178.40 1bnl h SER 144 N 0.00 0.00 -4.36 -2.05 4.64 -1.98 -3.41 113.55 106.40 1bnl h SER 144 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1bnl h SER 144 Cb 0.27 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.44 1bnl h SER 144 CO 0.00 0.89 0.40 0.00 -0.87 0.00 0.00 176.83 177.25 1bnl s ALA 145 N -2.83 2.96 0.03 5.18 0.00 0.06 -4.96 121.76 122.20 1bnl s ALA 145 Ca 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1bnl s ALA 145 Cb 0.10 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 1bnl s ALA 145 CO 0.80 -0.89 -0.01 0.95 0.00 0.00 0.00 175.76 176.62 1bnl s THR 146 N -3.16 0.15 0.05 0.00 -4.23 -1.26 -1.60 115.64 105.58 1bnl s THR 146 Ca 0.56 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1bnl s THR 146 Cb -0.12 -0.80 -0.02 0.00 1.34 0.00 0.00 72.50 72.90 1bnl s THR 146 CO 0.54 -0.68 -0.10 -0.83 -0.54 0.00 0.00 174.62 173.01 1bnl s GLY 147 N -2.06 0.60 -0.01 3.99 0.00 -0.07 -1.74 107.32 108.03 1bnl s GLY 147 Ca -0.06 -0.79 -0.30 0.00 0.00 0.00 0.00 44.72 43.57 1bnl s GLY 147 CO -0.05 -0.82 1.18 1.20 0.00 0.00 0.00 173.10 174.62 1bnl s GLN 148 N -1.45 4.40 0.12 2.90 -1.52 0.24 -0.69 119.66 123.66 1bnl s GLN 148 Ca -0.06 1.68 0.01 0.00 -1.95 0.00 0.00 55.36 55.04 1bnl s GLN 148 Cb -0.09 -3.48 -0.04 0.00 -0.22 0.00 0.00 33.01 29.18 1bnl s GLN 148 CO 0.01 -0.35 -0.03 0.00 -0.25 0.00 0.00 175.29 174.67 1bnl s ALA 149 N 1.72 1.06 0.05 6.09 0.00 -0.16 -0.95 121.76 129.57 1bnl s ALA 149 Ca 0.56 -1.43 0.08 0.00 0.00 0.00 0.00 51.96 51.18 1bnl s ALA 149 Cb -0.26 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1bnl s ALA 149 CO 0.25 -0.28 -0.22 0.45 0.00 0.00 0.00 175.76 175.95 1bnl s SER 150 N -3.08 2.67 -0.44 0.00 0.15 -0.04 -2.40 113.70 110.57 1bnl s SER 150 Ca 0.16 -0.55 -0.16 0.00 0.70 0.00 0.00 55.95 56.11 1bnl s SER 150 Cb 0.06 -0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.18 1bnl s SER 150 CO -0.02 0.19 0.36 -0.55 1.20 0.00 0.00 173.24 174.42 1bnl s SER 151 N -1.21 6.14 0.59 5.45 0.15 -1.26 -0.31 113.70 123.24 1bnl s SER 151 Ca 0.09 -1.06 0.28 0.00 0.70 0.00 0.00 55.95 55.96 1bnl s SER 151 Cb -0.09 -2.18 1.55 0.00 -1.71 0.00 0.00 66.02 63.59 1bnl s SER 151 CO 0.02 -0.56 1.99 -0.07 1.20 0.00 0.00 173.24 175.82 1bnl h LEU 152 N 8.76 0.00 -0.00 3.45 4.07 -1.29 0.37 115.31 130.66 1bnl h LEU 152 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1bnl h LEU 152 Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1bnl h LEU 152 CO 0.81 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 178.35 1bnl n LEU 153 N -3.79 0.07 -0.53 1.67 4.77 -1.26 -2.56 117.00 115.36 1bnl n LEU 153 Ca 0.05 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.68 1bnl n LEU 153 Cb 0.51 -0.49 0.47 0.00 -2.33 0.00 0.00 43.42 41.59 1bnl n LEU 153 CO 0.28 -0.03 0.84 0.61 -1.33 0.00 0.00 177.39 177.76 1bnl n GLY 154 N 1.41 0.12 2.03 -0.72 0.00 0.13 -4.94 105.19 103.22 1bnl n GLY 154 Ca 0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 1bnl n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnl n GLY 155 N 1.19 0.46 3.26 -0.02 0.00 -1.06 -5.02 105.19 103.99 1bnl n GLY 155 Ca 0.18 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 1bnl n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bnl s ARG 156 N -1.14 1.07 -0.00 1.61 0.52 -1.25 -0.07 118.95 119.69 1bnl s ARG 156 Ca 0.00 -1.26 0.16 0.00 -0.52 0.00 0.00 55.73 54.10 1bnl s ARG 156 Cb 0.00 -1.00 -0.18 0.00 0.52 0.00 0.00 34.95 34.29 1bnl s ARG 156 CO 0.00 0.20 0.62 -0.11 0.02 0.00 0.00 175.30 176.03 1bnl n LEU 157 N 0.52 0.64 -2.74 2.53 0.00 -0.48 -4.23 117.00 113.24 1bnl n LEU 157 Ca -0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 56.01 55.38 1bnl n LEU 157 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 43.42 44.03 1bnl n LEU 157 CO 0.27 0.16 -0.04 0.18 0.00 0.00 0.00 177.39 177.97 1bnl n LEU 158 N -1.46 1.71 -4.74 -1.96 4.77 -0.62 -4.82 117.00 109.87 1bnl n LEU 158 Ca 0.02 -3.35 -0.31 0.00 -0.03 0.00 0.00 56.01 52.34 1bnl n LEU 158 Cb 0.27 0.42 0.11 0.00 -2.33 0.00 0.00 43.42 41.88 1bnl n LEU 158 CO 0.32 1.27 0.69 -0.83 -1.33 0.00 0.00 177.39 177.51 1bnl s GLY 159 N -3.57 1.67 -0.28 -0.72 0.00 -1.26 -4.55 107.32 98.61 1bnl s GLY 159 Ca 0.28 0.24 -0.04 0.00 0.00 0.00 0.00 44.72 45.21 1bnl s GLY 159 CO -0.01 0.63 0.02 1.20 0.00 0.00 0.00 173.10 174.93 1bnl s GLN 160 N -4.87 2.88 -0.17 2.90 -1.52 -1.26 -4.13 119.66 113.49 1bnl s GLN 160 Ca 0.62 -0.98 -0.06 0.00 -1.95 0.00 0.00 55.36 53.00 1bnl s GLN 160 Cb -0.18 -3.20 0.08 0.00 -0.22 0.00 0.00 33.01 29.49 1bnl s GLN 160 CO 0.57 -0.46 0.34 -1.12 -0.25 0.00 0.00 175.29 174.36 1bnl s SER 161 N 1.39 0.07 -0.56 5.90 0.01 -1.01 -4.97 113.70 114.53 1bnl s SER 161 Ca 0.00 0.77 -0.28 0.00 1.31 0.00 0.00 55.95 57.75 1bnl s SER 161 Cb -0.17 1.03 0.03 0.00 0.21 0.00 0.00 66.02 67.11 1bnl s SER 161 CO -0.01 -0.24 1.15 0.00 0.41 0.00 0.00 173.24 174.55 1bnl s ALA 162 N 2.52 3.04 -0.07 1.44 0.00 -1.26 -0.99 121.76 126.43 1bnl s ALA 162 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1bnl s ALA 162 Cb -0.12 -3.98 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 1bnl s ALA 162 CO -0.11 -2.58 -0.07 0.00 0.00 0.00 0.00 175.76 173.00 1bnl s ALA 163 N 4.76 2.97 0.19 0.00 0.00 0.13 -4.87 121.76 124.95 1bnl s ALA 163 Ca 0.42 -0.89 -0.32 0.00 0.00 0.00 0.00 51.96 51.17 1bnl s ALA 163 Cb -0.08 -1.24 -0.15 0.00 0.00 0.00 0.00 23.12 21.65 1bnl s ALA 163 CO 0.25 0.55 1.19 0.45 0.00 0.00 0.00 175.76 178.20 1bnl n SER 164 N 2.32 1.59 0.00 0.00 2.88 -1.26 -0.89 113.62 118.26 1bnl n SER 164 Ca -0.18 1.14 0.07 0.00 -1.33 0.00 0.00 58.87 58.57 1bnl n SER 164 Cb 0.53 -1.26 0.32 0.00 -0.75 0.00 0.00 64.21 63.05 1bnl n SER 164 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bnl n HIS 166 N -1.44 0.00 -2.28 0.00 -0.00 -1.10 -1.72 115.22 108.68 1bnl n HIS 166 Ca 0.04 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.81 1bnl n HIS 166 Cb 0.15 -0.50 -0.03 0.00 -0.12 0.00 0.00 29.99 29.49 1bnl n HIS 166 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1bnl s HIS 167 N -3.00 3.33 -0.47 1.57 4.02 -1.11 -4.86 115.29 114.76 1bnl s HIS 167 Ca 0.10 1.24 -0.18 0.00 1.02 0.00 0.00 55.06 57.24 1bnl s HIS 167 Cb 0.14 -3.54 0.05 0.00 -1.02 0.00 0.00 32.58 28.20 1bnl s HIS 167 CO 0.39 -1.70 0.53 0.00 1.02 0.00 0.00 174.74 174.97 1bnl s ALA 168 N 0.38 3.43 0.48 -1.40 0.00 -1.26 -3.78 121.76 119.62 1bnl s ALA 168 Ca 0.57 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.82 1bnl s ALA 168 Cb -0.34 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1bnl s ALA 168 CO 0.35 -1.83 0.01 0.71 0.00 0.00 0.00 175.76 175.00 1bnl s TYR 169 N 2.30 2.01 0.32 0.00 2.02 -0.58 -4.58 117.35 118.84 1bnl s TYR 169 Ca 0.12 -0.91 -0.26 0.00 -0.37 0.00 0.00 57.07 55.65 1bnl s TYR 169 Cb -0.19 -1.63 -0.10 0.00 -0.40 0.00 0.00 41.96 39.64 1bnl s TYR 169 CO 0.12 0.26 0.98 0.42 -1.57 0.00 0.00 175.55 175.76 1bnl s ILE 170 N -2.86 4.01 -0.09 2.71 1.01 0.14 -0.34 121.20 125.78 1bnl s ILE 170 Ca 0.13 1.71 0.03 0.00 0.00 0.00 0.00 60.65 62.52 1bnl s ILE 170 Cb 0.04 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1bnl s ILE 170 CO 0.07 0.18 -0.17 -0.69 0.00 0.00 0.00 174.94 174.32 1bnl s VAL 171 N -1.53 1.58 0.30 2.92 1.01 -1.26 -1.09 120.40 122.34 1bnl s VAL 171 Ca 0.50 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1bnl s VAL 171 Cb -0.22 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1bnl s VAL 171 CO 0.27 0.46 0.41 -0.76 0.00 0.00 0.00 175.10 175.48 1bnl s LEU 172 N 0.69 4.05 -0.09 3.92 1.43 -1.26 -1.49 118.68 125.92 1bnl s LEU 172 Ca -0.13 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1bnl s LEU 172 Cb -0.16 -2.73 0.03 0.00 0.03 0.00 0.00 46.19 43.36 1bnl s LEU 172 CO 0.03 -0.29 -0.04 0.00 0.23 0.00 0.00 176.35 176.28 1bnl s ILE 174 N 1.83 4.36 -0.04 0.00 1.10 -0.83 -1.02 121.20 126.60 1bnl s ILE 174 Ca 0.05 -0.21 -0.30 0.00 -0.51 0.00 0.00 60.65 59.68 1bnl s ILE 174 Cb -0.12 -2.90 -0.04 0.00 0.15 0.00 0.00 42.46 39.55 1bnl s ILE 174 CO -0.07 0.53 1.38 -0.70 -2.11 0.00 0.00 174.94 173.98 1bnl s GLU 175 N -0.15 4.27 0.15 3.50 2.12 -1.09 -1.80 118.70 125.70 1bnl s GLU 175 Ca 0.05 1.90 0.20 0.00 0.36 0.00 0.00 54.97 57.48 1bnl s GLU 175 Cb -0.12 -3.66 0.83 0.00 0.26 0.00 0.00 34.13 31.44 1bnl s GLU 175 CO 0.02 -0.62 1.61 0.27 -0.54 0.00 0.00 175.26 176.01 1bnl n ASN 176 N 5.79 0.38 -3.62 -1.70 6.94 0.13 -4.75 115.26 118.42 1bnl n ASN 176 Ca 0.13 0.59 -0.07 0.00 -0.02 0.00 0.00 54.58 55.22 1bnl n ASN 176 Cb 0.44 -0.67 -0.06 0.00 -2.36 0.00 0.00 39.78 37.13 1bnl n ASN 176 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1bnl s SER 177 N -3.71 -0.27 0.00 0.53 1.04 -1.26 -1.61 113.70 108.42 1bnl s SER 177 Ca 0.06 0.39 0.32 0.00 0.48 0.00 0.00 55.95 57.20 1bnl s SER 177 Cb 0.10 0.36 1.86 0.00 0.10 0.00 0.00 66.02 68.44 1bnl s SER 177 CO 0.35 -0.17 2.20 0.33 0.98 0.00 0.00 173.24 176.93